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Now showing items 171-180 of 200
Synthesis and metal complex equilibria studies of some binucleating ligands with a [rho]-Xylyl backbone
(1982)
The synthesis of a series of new binucleating ligands, 1,4-bis(2'-(3''-azapropyl)-2',5'-diazapentyl)benzene (PXBDE), 1,4-bis(2',5',8'-triazaoctyl)benzene (PXBEN), 1,4-bis-(2',5',8',11'-tetraazaundecyl) benzene (PXTRIEN), ...
CNDO/CI calculations using symmetry orbitals
(1983)
A new parameterization of the CNDO method is presented which correctly includes symmetry in the calculation. This new method is parameterized on the subshell level allowing each type of atomic orbital to be varied independently ...
Novel studies in x-ray emission analysis using radioisotopes
(1983)
Two novel techniques employing radioisotopes for x-ray emission were studied: internal x-ray emission analysis and low energy proton activation with counting of radioactive x-ray emitters. An inexpensive, sensitive technique ...
Photoelectron spectra and molecular orbital calculations of tricobalt alkylidyne and tri-cobalt, iron, ruthenium, and osmium sulfide nonacarbonyl and triosmium decacarbonyl clusters
(1983)
Ultraviolet photoelectron (PE) spectroscopy and molecular orbital (MO) calculations were performed on ((mu)(,3)-CR)Co(,3)(CO)(,9) (R = Cl,Br,I,H,Me,OMe), SCo(,3)(CO)(,9), SH(,n-1)Fe(,n)Co(,3-n)(CO)(,9) (n = 1,2,3), ...
Heavy Ion Rutherford Backscattering Spectrometry
(1981)
Theory predicts enhanced mass and depth resolution as well as greater sensitivity for RBS with heavy ions vs. protons or alphas. In this study the actual analytical capabilities of Heavy Ion RBS (HIRBS) were evaluated for ...
Investigations of the mechanistic details and potential synthetic applications of the di-[pi]-methane rearrangement
(1978)
The di-π-methane rearrangement has been shown to be of very general scope. During the course of a study designed to broaden the scope of this rearrangement by including a nitrogen atom in the backbone of the di-π-methane ...
Development and applications of multidimensional fluorescence spectroscopy in time-dependent systems
(1983)
Fluorescence detection has been important in the analysis of time-dependent processes due to the high sensitivity and rapid response of the technique. However, the acquired data only provide information about the kinetic ...
Studies of MCSCF optimization and application to many-body techniques for the electronic states of atoms and molecules
(1983)
We develop and review multiconfigurational self-consistent field (MCSCF) procedures based on unitary exponential operators. When the energy functional is expanded through second order in the orbital and state optimization ...
Multinuclear NMR studies of methylsilver [I], -copper [I], and -mercury [II] complexes
(1983)
Characterization of methyl(tri-n-butylphosphine)silver{I} (1), lithium{dimethyl(tri-n-butylphosphine)silver{I}} (2), and dilithium{trimethyl(tri-n-butylphosphine)silver{I}} (3) by ('1)H, ('7)Li, ('13)C, and ('31)P NMR ...
Polymer-induced catalyst activity modification
(1983)
Insoluble polymers were shown to be capable of modifying catalyst activity when used as a support either for a transition metal catalyst or a ligand absorbing reagent. Polymer-bound Cp(,2)TiCl(,2) reduced by Grignard ...